[gmx-users] AEDANS & DDPM

[Justin A. Lemkul]

Quoting jayant_jacques <jayant_jacques at rediffmail.com>:

>
>
> Hi all!
> I am attempting to simulate a protein with AEDANS and DABMI attached to
> modified Cys. I got the .top files and .gro from PRODRG but on attempting
> simulations I get the error
> Warning: 'DAB' not found in residue topology database,

This is a very common error.  Check the wiki entry for information as to why
it's coming up and what to do about it:

http://wiki.gromacs.org/index.php/Errors#Residue_.27XXX.27_not_found_in_residue_topology_database

-Justin

>
> So does any one have an idea how to build the residue topology for AEDANS
> or DABMI.  Is there any program out there that can help!!
> Thanks
> Jayant JAmes
>
> Jayasundar Jayant James
> Postdoc,
> Department of Veterinary and Comparative Anatomy, Pharmacology and
> Physiology(VCAPP), Washington state university, Pullman 99164-6520, USA.
> http://www.chick.com/reading/tracts/0001/0001_01.asp
> Phone office:335-5937, Cell:1-509-432-5790



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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/

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